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CAS Number: 50743-20-9
6-chloro-4-oxo-4H-chromene-3-carbonitrile

Structure

6-chloro-4-oxo-4H-chromene-3-carbonitrile
Name: 6-chloro-4-oxo-4H-chromene-3-carbonitrile
Synonyms:
General Information
Product Number: 50743209
CAS Registry Number: 50743-20-9
Name:
        4H-​1-​Benzopyran-​3-​carbonitrile, 6-​chloro-​4-​oxo-
        6-​Chloro-​3-​cyanochromone 
 
Chemical Formula: C10H4ClNO2
Exact Mass: 204.99
Molecular Weight: 205.60
m/z: 204.99 (100.0%), 206.99 (32.0%), 206.00 (10.9%), 207.99 (3.6%)
Elemental Analysis: C, 58.42; H, 1.96; Cl, 17.24; N, 6.81; O, 15.56
 
InChI: InChI=1S/C10H4ClNO2/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-3,5H
InChIKey: JHWOLPAENJJAJP-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C#N
 
Thermal Properties Value Condition Note
Melting Point 211-213 °C   (3)CAS
Melting Point 210-213 °C Solv: methanol (67-56-1) (4)IC
Melting Point 210-213 °C   (3)CAS
Melting Point 210 °C   (2)CAS
Melting Point 209-210 °C Solv: methanol (67-56-1) (2)CAS
 

Specification

98%

References
  1. (1) Ankner, Tobias; Organic Letters 2010, V12(10), P2210-2213 CAPLUS
  2. (2) Reddy, G. Jagath; Organic Preparations and Procedures International 2004, V36(3), P287-289 CAPLUS
  3. (3) Hsung, Richard P.; Journal of Organic Chemistry 1999, V64(23), P8736-8740 CAPLUS
  4. (4) Nohara, Akira; Journal of Medicinal Chemistry 1977, V20(1), P141-5 CAPLUS
  5. (5) Reddy, G. Jagath; Heterocyclic Communications 2004, V10(4-5), P279-282 CAPLUS
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